| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:01 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153544 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21NO7S |
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| Molecular Mass | 407.1039 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(S(=O)O)c3CC2NC(C)=O)cc1OC |
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| InChI Key | XWYRAGFAGHOJCD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | o-methylated flavonoids |
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| Direct Parent | 3'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids4'-o-methylated flavonoids7-hydroxyflavonoidsacetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativesdimethoxybenzenesflavanshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfinic aciddimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundchromaneorganoheterocyclic compoundacetamidebenzopyrancarboxamide groupmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclesecondary carboxylic acid amideorganic oxygen compoundanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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